methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[[1-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]propionic acid methyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O7/c1-31-19-8-7-14(11-20(19)32-2)18(13-21(27)33-3)23-22(28)17-9-10-25(24-17)15-5-4-6-16(12-15)26(29)30/h4-12,18H,13H2,1-3H3,(H,23,28)